![CAS 1391423-72-5 (1R)-2-METHYL-1-[4-(TRIFLUOROMETHYL)PHENYL]PROPYLAMINE HYDROCHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1391423-72-5.gif)
CAS RN: 1391423-72-5
(1R)-2-METHYL-1-[4-(TRIFLUOROMETHYL)PHENYL]PROPYLAMINE HYDROCHLORIDE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251120 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1391423-72-5
- Purity/Analytical Methods: >99.0%
1391423-72-5 / (1R)-2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
Basic Information
CAS
1391423-72-5
Multi CAS
No
Molecular Formula
C11H15ClF3N
Molecular Weight
253.690000
Exact Mass
253.084512
SMILES
CC(C)[C@H](C1=CC=C(C=C1)C(F)(F)F)N.Cl
InChI
InChI=1S/C11H14F3N.ClH/c1-7(2)10(15)8-3-5-9(6-4-8)11(12,13)14;/h3-7,10H,15H2,1-2H3;1H/t10-;/m1./s1
InChIKey
CJNUAORXKUDOAK-HNCPQSOCSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
60.46
TPSA
26.02
LogP / Solubility
WLOGP
3.78
MLOGP
3.34
XLogP3
3.78
Consensus LogP
3.63
Log S (ESOL)
-3.94
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.69
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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